[4-(5-nonylpyrimidin-2-yl)phenyl] octanoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] octanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-10-12-13-15-23-21-28-27(29-22-23)24-17-19-25(20-18-24)31-26(30)16-14-11-8-6-4-2/h17-22H,3-16H2,1-2H3